SCHEMBL6585817

SCHEMBL6585817

COc1cc(CCCCC2OC(=O)NC2=O)ccc1OCc1coc(/C=C/c2ccc3ccccc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
NQO2 P16083 1/20 0.37
GSK3B P49841 1/20 0.35
ERBB2 P04626 2/20 0.34
MINK1 Q8N4C8 1/20 0.34
MMP1 P03956 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CYP4F2 P78329 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6585831 1.00 PPARG (0.53) PPARGNQO2GSK3BERBB2MINK1
SCHEMBL6585075 0.93 PPARG (0.55) PPARGERBB2MINK1MEN1KMT2A
SCHEMBL6585081 0.93 PPARG (0.55) PPARGERBB2MINK1MEN1KMT2A
SCHEMBL6584250 0.90 PPARG (0.58) PPARGERBB2MINK1MEN1KMT2A
SCHEMBL6584259 0.90 PPARG (0.58) PPARGERBB2MINK1MEN1KMT2A
SCHEMBL6585823 0.85 PPARG (0.37) PPARGNQO2GSK3BERBB2MINK1
SCHEMBL6583256 0.82 PPARG (0.48) PPARGGSK3BERBB2MINK1KMT2A
SCHEMBL6583266 0.82 PPARG (0.48) PPARGGSK3BERBB2MINK1KMT2A
SCHEMBL8898271 0.81 ERBB2 (0.46) PPARGERBB2MINK1CYP4F2CYP4A11
SCHEMBL8898254 0.81 ERBB2 (0.46) PPARGERBB2MINK1CYP4F2CYP4A11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed